5-{[N-(butan-2-yl)(2,6-dimethylphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(2,6-dimethylphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-{[N-(butan-2-yl)(2,6-dimethylphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2093 |
| Compound Name: | 5-{[N-(butan-2-yl)(2,6-dimethylphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C27 H31 F N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)C(Nc1c(C)cccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4482 |
| logD: | 5.4482 |
| logSw: | -5.4156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.682 |
| InChI Key: | VJGKACBOXIKRQB-FQEVSTJZSA-N |